N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C24H26N4O6S MolecularWeight: 498.55144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O6S/c29-22(25-26-23(30)24-12-15-8-16(13-24)10-17(9-15)14-24)18-4-6-19(7-5-18)27-35(33,34)21-3-1-2-20(11-21)28(31)32/h1-7,11,15-17,27H,8-10,12-14H2,(H,25,29)(H,26,30)